SCHEMBL25656902

SCHEMBL25656902

CCC(C)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.40
CYP1A2 P05177 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.33
USP2 O75604 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
PPARG P37231 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25656903 0.90 APP (0.42) APPCYP1A2SCN10AUSP2MEN1
SCHEMBL11955374 0.81 KDM4E (0.47) APPCYP1A2USP2MEN1KMT2A
SCHEMBL13810526 0.80 APP (0.43) APPCYP1A2USP2MEN1POLB
SCHEMBL15215399 0.78 APAF1 (0.44) APPCYP1A2USP2MEN1POLB
Hydrochloric Acid SCHEMBL8725849 0.77 APAF1 (0.46) APPCYP1A2USP2MEN1POLB
SCHEMBL6128296 0.77 MEN1 (0.48) APPCYP1A2USP2MEN1POLB
SCHEMBL13153745 0.77 APP (0.41) APPCYP1A2POLBALDH1A1GAA
SCHEMBL29461572 0.77 MEN1 (0.48) APPCYP1A2USP2MEN1POLB
SCHEMBL23675025 0.76 APP (0.40) APPCYP1A2USP2MEN1POLB
Hydrochloric Acid SCHEMBL29356681 0.76 MEN1 (0.47) APPCYP1A2USP2MEN1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148317-A1 OXAZINE-BASED FLUOROPHORE COMPOUNDS FOR NERVE-SPECIFIC IMAGING OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-05-11 US disclosed
US-20230148317-A1 OXAZINE-BASED FLUOROPHORE COMPOUNDS FOR NERVE-SPECIFIC IMAGING OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-05-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230148317-A1 OXAZINE-BASED FLUOROPHORE COMPOUNDS FOR NERVE-SPECIFIC IMAGING GAP43, NTRK1, CHAT APP 811/4885CYP1A2 3871/4885SCN10A 1127/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.